update_vasp_input_generators

atomate2.vasp.powerups.update_vasp_input_generators(flow, dict_mod_updates, name_filter=None, class_filter=BaseVaspMaker)[source]

Update VaspInputGenerators or Makers in a job, flow, or maker.

This function applies modifications to VASP input generators throughout a workflow. It creates a deep copy of the input, so the original remains unchanged.

Parameters:

  • flow (Job or Flow or Maker) – A job, flow, or maker to update.

  • dict_mod_updates (dict[str, Any]) – Dictionary of updates to apply using arrow notation (e.g., ‘input_set_generator->user_incar_settings->ENCUT’). Existing keys are preserved unless explicitly overridden.

  • name_filter (str or None, optional) – Filter to apply updates only to jobs matching this name pattern. Default is None (no filtering).

  • class_filter (type[Maker] or None, optional) – Filter to apply updates only to makers of this class or its subclasses. Default is BaseVaspMaker.

Returns:

A deep copy of the input with updated VASP input generator settings.

Return type:

Job or Flow or Maker